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The equilibrium structure of trans-glyoxal from experimental rotational constants and calculated vibration?rotation interaction constants

✍ Scribed by Larsen, Ren� Wugt; Paw?owski, Filip; Hegelund, Flemming; J�rgensen, Poul; Gauss, J�rgen; Nelander, Bengt


Book ID
121392669
Publisher
Royal Society of Chemistry
Year
2003
Tongue
English
Weight
146 KB
Volume
5
Category
Article
ISSN
1463-9076

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Ab initio vibration—rotation coupling co
✍ Peter Botschwina; Jörg Flügge 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 403 KB

The equilibrium geometries of NCCN and CNCN were calculated from experimental ground-state rotational constants and ab initio values for the vibration-rotation coupling constants. For NCCN. R,,(NC)=1.1578(5) A and Rze(CC)= 1.3839(5) A were obtained, where estimated error bars are given in parenthese